[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2,5-dimethylfuran-3-carboxylate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)O[C@H](C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26O4/c1-11-4-17(12(2)23-11)19(22)24-13(3)18(21)20-8-14-5-15(9-20)7-16(6-14)10-20/h4,13-16H,5-10H2,1-3H3/t13-,14?,15?,16?,20?/m1/s1